#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 s SER 2 N 0.00 1.72 -0.03 1.61 1.04 -1.26 -5.18 113.70 111.61 2em3 s SER 2 Ca 0.00 -1.53 -0.27 0.00 0.48 0.00 0.00 55.95 54.63 2em3 s SER 2 Cb 0.00 0.33 0.06 0.00 0.10 0.00 0.00 66.02 66.51 2em3 s SER 2 CO 0.00 -0.85 0.60 -0.94 0.98 0.00 0.00 173.24 173.04 2em3 s SER 3 N -3.40 -0.56 0.00 7.02 1.04 -1.26 -5.18 113.70 111.36 2em3 s SER 3 Ca 0.34 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2em3 s SER 3 Cb 0.05 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2em3 s SER 3 CO 0.16 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2em3 n GLY 4 N 0.87 2.25 3.04 7.32 0.00 -1.26 -5.16 105.19 112.26 2em3 n GLY 4 Ca -0.19 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 2em3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2em3 s SER 5 N 0.00 0.15 0.12 1.61 1.04 -1.26 -5.05 113.70 110.31 2em3 s SER 5 Ca 0.00 0.61 -0.23 0.00 0.48 0.00 0.00 55.95 56.81 2em3 s SER 5 Cb 0.00 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 66.73 2em3 s SER 5 CO 0.00 -0.22 1.68 0.28 0.98 0.00 0.00 173.24 175.96 2em3 h SER 6 N 7.98 -0.42 -4.48 7.02 0.02 -2.10 -3.49 113.55 118.09 2em3 h SER 6 Ca -0.21 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2em3 h SER 6 Cb 1.13 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2em3 h SER 6 CO 0.20 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2em3 n GLY 7 N -1.28 -0.32 3.13 -3.77 0.00 -1.26 -5.08 105.19 96.61 2em3 n GLY 7 Ca -0.04 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 2em3 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2em3 s THR 8 N -2.82 0.11 0.26 2.61 -1.32 -1.26 -5.13 115.64 108.09 2em3 s THR 8 Ca 0.00 -0.90 -0.31 0.00 -1.21 0.00 0.00 61.69 59.28 2em3 s THR 8 Cb 0.00 -0.73 -0.11 0.00 -1.51 0.00 0.00 72.50 70.14 2em3 s THR 8 CO 0.00 -0.49 1.64 -0.83 -2.21 0.00 0.00 174.62 172.72 2em3 s GLY 9 N -1.85 1.78 0.09 6.08 0.00 -1.26 -4.99 107.32 107.17 2em3 s GLY 9 Ca -0.09 1.57 -0.07 0.00 0.00 0.00 0.00 44.72 46.14 2em3 s GLY 9 CO -0.02 2.67 0.35 -0.54 0.00 0.00 0.00 173.10 175.56 2em3 s GLU 10 N 0.13 3.65 -0.04 2.90 2.02 -1.26 -5.08 118.70 121.02 2em3 s GLU 10 Ca 0.67 -0.01 -0.22 0.00 0.02 0.00 0.00 54.97 55.43 2em3 s GLU 10 Cb -0.48 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 2em3 s GLU 10 CO 0.42 0.54 0.66 0.15 0.02 0.00 0.00 175.26 177.05 2em3 s LYS 11 N -2.20 4.40 0.41 1.61 1.02 -1.26 -4.96 119.74 118.77 2em3 s LYS 11 Ca 0.35 0.82 0.20 0.00 0.02 0.00 0.00 55.97 57.36 2em3 s LYS 11 Cb -0.13 -3.41 0.88 0.00 -0.52 0.00 0.00 37.83 34.65 2em3 s LYS 11 CO 0.21 0.18 1.83 -1.00 -0.92 0.00 0.00 175.35 175.65 2em3 h PRO 12 N 6.33 0.00 -4.78 -1.68 0.13 -1.91 -3.41 132.00 126.67 2em3 h PRO 12 Ca -0.42 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.04 2em3 h PRO 12 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2em3 h PRO 12 CO 0.73 0.30 -0.49 0.71 -0.23 0.00 0.00 178.00 179.02 2em3 s TYR 13 N -3.83 3.22 -0.02 1.56 2.02 -1.26 -5.06 117.35 113.98 2em3 s TYR 13 Ca -0.01 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.55 2em3 s TYR 13 Cb 0.12 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 2em3 s TYR 13 CO 0.66 -0.29 0.10 -2.00 -1.57 0.00 0.00 175.55 172.46 2em3 s GLU 14 N 1.73 0.23 0.63 -0.62 2.12 -1.26 -0.50 118.70 121.03 2em3 s GLU 14 Ca 0.06 -0.06 -0.08 0.00 0.36 0.00 0.00 54.97 55.26 2em3 s GLU 14 Cb -0.17 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.34 2em3 s GLU 14 CO 0.11 -0.04 0.97 0.00 -0.54 0.00 0.00 175.26 175.75 2em3 n LYS 16 N -2.73 0.32 0.13 0.00 4.76 -1.26 -3.47 118.16 115.90 2em3 n LYS 16 Ca 0.05 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 2em3 n LYS 16 Cb 0.58 -1.24 -0.08 0.00 -1.84 0.00 0.00 35.03 32.44 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2em3 h VAL 17 N -0.02 0.75 0.00 -0.18 2.07 -2.00 -3.32 116.25 113.56 2em3 h VAL 17 Ca -0.28 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2em3 h VAL 17 Cb 1.43 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2em3 h VAL 17 CO -0.05 0.14 -1.31 0.00 0.02 0.00 0.00 177.57 176.38 2em3 n SER 19 N -2.58 -2.65 -4.45 0.00 7.64 -1.23 -5.01 113.62 105.35 2em3 n SER 19 Ca -0.02 -0.49 -0.33 0.00 1.01 0.00 0.00 58.87 59.04 2em3 n SER 19 Cb 0.58 -4.20 -0.13 0.00 -1.01 0.00 0.00 64.21 59.45 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2em3 s LYS 20 N -5.26 3.48 -0.06 1.43 2.20 -1.26 -4.79 119.74 115.48 2em3 s LYS 20 Ca 0.08 -0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 54.92 2em3 s LYS 20 Cb -0.04 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 2em3 s LYS 20 CO 0.59 0.26 0.50 0.00 -0.36 0.00 0.00 175.35 176.33 2em3 s ALA 21 N 0.27 3.52 0.25 3.13 0.00 -1.26 -0.74 121.76 126.92 2em3 s ALA 21 Ca -0.06 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 51.87 2em3 s ALA 21 Cb -0.15 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 2em3 s ALA 21 CO 0.04 0.14 -0.11 -0.06 0.00 0.00 0.00 175.76 175.77 2em3 s PHE 22 N 0.06 2.50 0.03 0.00 0.40 0.34 -4.99 117.98 116.32 2em3 s PHE 22 Ca 0.27 -0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 56.16 2em3 s PHE 22 Cb -0.16 -1.13 -0.32 0.00 0.51 0.00 0.00 43.02 41.91 2em3 s PHE 22 CO 0.13 0.62 1.03 0.00 0.70 0.00 0.00 175.22 177.70 2em3 h THR 23 N 2.32 1.32 -2.14 0.64 1.03 -1.98 -3.37 112.91 110.73 2em3 h THR 23 Ca -0.43 -2.55 -0.60 0.00 -0.01 0.00 0.00 66.41 62.81 2em3 h THR 23 Cb 1.24 2.92 -0.14 0.00 -1.07 0.00 0.00 68.15 71.10 2em3 h THR 23 CO 0.58 0.76 -0.73 -1.10 -0.01 0.00 0.00 175.52 175.02 2em3 s GLN 24 N -2.75 1.72 -0.02 0.00 -1.52 -1.26 -4.88 119.66 110.95 2em3 s GLN 24 Ca -0.10 -1.83 -0.22 0.00 -1.95 0.00 0.00 55.36 51.26 2em3 s GLN 24 Cb 0.04 -1.71 -0.15 0.00 -0.22 0.00 0.00 33.01 30.98 2em3 s GLN 24 CO 0.92 0.25 1.01 -0.22 -0.25 0.00 0.00 175.29 177.00 2em3 h LYS 25 N 2.19 -0.41 -0.84 2.91 3.64 -1.98 -3.23 116.57 118.85 2em3 h LYS 25 Ca -0.41 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.24 2em3 h LYS 25 Cb 1.25 0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 33.01 2em3 h LYS 25 CO 0.64 -0.08 0.06 0.00 -2.27 0.00 0.00 179.45 177.80 2em3 n ALA 26 N -2.57 0.47 -0.13 5.00 0.00 -1.26 0.16 120.51 122.18 2em3 n ALA 26 Ca -0.09 0.89 -0.06 0.00 0.00 0.00 0.00 53.44 54.19 2em3 n ALA 26 Cb 0.27 -0.67 0.03 0.00 0.00 0.00 0.00 19.45 19.07 2em3 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2em3 h HIS 27 N 0.00 0.37 0.11 0.00 3.86 -1.99 -0.44 115.15 117.06 2em3 h HIS 27 Ca 0.53 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.75 2em3 h HIS 27 Cb 1.13 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2em3 h HIS 27 CO -0.39 0.18 -0.05 1.25 0.86 0.00 0.00 177.93 179.78 2em3 h LEU 28 N 0.41 -0.13 -0.54 2.43 5.85 0.15 -0.84 115.31 122.63 2em3 h LEU 28 Ca 0.18 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.67 2em3 h LEU 28 Cb 0.10 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 2em3 h LEU 28 CO -0.14 0.30 -0.12 0.00 -0.34 0.00 0.00 178.44 178.14 2em3 h ALA 29 N 0.21 0.38 -0.34 1.25 0.00 -0.58 0.26 119.26 120.43 2em3 h ALA 29 Ca -0.02 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2em3 h ALA 29 Cb 0.47 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2em3 h ALA 29 CO 0.03 -0.43 -0.24 0.37 0.00 0.00 0.00 179.25 178.97 2em3 h GLN 30 N 0.01 0.68 0.67 0.00 5.75 -1.11 -3.24 115.11 117.87 2em3 h GLN 30 Ca 0.26 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2em3 h GLN 30 Cb 0.40 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.93 2em3 h GLN 30 CO -0.55 0.86 -0.32 1.25 -2.65 0.00 0.00 178.83 177.42 2em3 h HIS 31 N 0.59 -0.84 -1.71 3.99 2.76 0.48 -2.74 115.15 117.69 2em3 h HIS 31 Ca 0.08 -0.02 0.53 0.00 -2.20 0.00 0.00 60.37 58.76 2em3 h HIS 31 Cb 0.73 0.28 -0.10 0.00 1.55 0.00 0.00 27.41 29.86 2em3 h HIS 31 CO 0.03 -0.49 1.18 1.04 -1.30 0.00 0.00 177.93 178.40 2em3 n GLN 32 N -5.43 -0.02 -0.32 5.26 6.02 0.71 0.14 117.38 123.74 2em3 n GLN 32 Ca -0.13 1.14 0.20 0.00 -0.01 0.00 0.00 57.00 58.20 2em3 n GLN 32 Cb 0.38 -2.46 0.39 0.00 1.02 0.00 0.00 30.24 29.57 2em3 n GLN 32 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2em3 h LYS 33 N 0.00 0.13 -0.13 -1.09 1.79 -1.53 0.33 116.57 116.06 2em3 h LYS 33 Ca 0.91 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.37 2em3 h LYS 33 Cb 3.35 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 33.96 2em3 h LYS 33 CO -0.20 0.08 0.08 1.79 -1.08 0.00 0.00 179.45 180.12 2em3 h THR 34 N 0.13 1.05 -2.86 -0.16 1.35 -0.50 -3.42 112.91 108.50 2em3 h THR 34 Ca 0.66 -0.10 -0.41 0.00 -0.55 0.00 0.00 66.41 66.01 2em3 h THR 34 Cb 1.50 0.89 0.22 0.00 -1.73 0.00 0.00 68.15 69.03 2em3 h THR 34 CO -0.74 0.04 -0.26 1.41 -0.25 0.00 0.00 175.52 175.72 2em3 n HIS 35 N -4.99 -2.06 -3.69 4.73 8.25 0.12 -3.12 115.22 114.45 2em3 n HIS 35 Ca -0.05 -0.28 -0.27 0.00 -0.26 0.00 0.00 57.72 56.86 2em3 n HIS 35 Cb 0.04 -1.56 -0.06 0.00 1.12 0.00 0.00 29.99 29.53 2em3 n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2em3 n THR 36 N -5.12 -0.25 0.00 1.59 -2.24 -1.26 -4.80 114.28 102.19 2em3 n THR 36 Ca 0.05 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2em3 n THR 36 Cb 0.56 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2em3 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2em3 n GLY 37 N -1.34 -0.24 3.32 3.38 0.00 -1.18 -4.96 105.19 104.18 2em3 n GLY 37 Ca -0.03 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.50 2em3 n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2em3 n GLU 38 N -1.94 0.00 -4.09 1.61 4.71 -1.26 -4.95 120.64 114.72 2em3 n GLU 38 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 2em3 n GLU 38 Cb 0.00 -1.09 -0.06 0.00 -1.01 0.00 0.00 31.44 29.28 2em3 n GLU 38 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2em3 s LYS 39 N -0.73 2.85 -0.09 3.49 1.02 -1.26 -5.07 119.74 119.95 2em3 s LYS 39 Ca 0.68 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 55.52 2em3 s LYS 39 Cb -0.98 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 2em3 s LYS 39 CO 0.55 0.50 1.52 -1.25 -0.92 0.00 0.00 175.35 175.74 2em3 s PRO 40 N -2.95 4.20 -0.38 -1.68 0.04 -1.26 -4.91 135.00 128.06 2em3 s PRO 40 Ca 0.30 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 2em3 s PRO 40 Cb -0.10 -3.89 0.17 0.00 0.04 0.00 0.00 34.50 30.72 2em3 s PRO 40 CO 0.23 -0.79 2.29 0.45 0.04 0.00 0.00 177.00 179.22 2em3 n SER 41 N 6.86 6.53 0.00 6.66 2.88 -1.26 -4.85 113.62 130.44 2em3 n SER 41 Ca 0.16 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 2em3 n SER 41 Cb 0.43 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 2em3 n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2em3 n GLY 42 N 0.48 2.41 3.55 0.46 0.00 -1.26 -5.01 105.19 105.82 2em3 n GLY 42 Ca 0.38 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2em3 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2em3 s PRO 43 N 0.00 2.61 -0.16 1.61 0.04 -1.26 -4.92 135.00 132.91 2em3 s PRO 43 Ca 0.00 0.40 -0.39 0.00 0.04 0.00 0.00 61.00 61.05 2em3 s PRO 43 Cb 0.00 -4.54 -0.16 0.00 0.04 0.00 0.00 34.50 29.84 2em3 s PRO 43 CO 0.00 -2.88 1.61 0.45 0.04 0.00 0.00 177.00 176.21 2em3 n SER 44 N 13.04 2.11 -4.30 6.66 2.88 -1.26 -4.95 113.62 127.79 2em3 n SER 44 Ca 0.25 1.09 -0.16 0.00 -1.33 0.00 0.00 58.87 58.72 2em3 n SER 44 Cb 0.51 -1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 62.72 2em3 n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2em3 s SER 45 N 2.51 1.46 0.00 -3.46 0.15 -1.26 -5.15 113.70 107.96 2em3 s SER 45 Ca 0.94 -1.25 0.20 0.00 0.70 0.00 0.00 55.95 56.54 2em3 s SER 45 Cb -1.04 0.08 0.16 0.00 -1.71 0.00 0.00 66.02 63.51 2em3 s SER 45 CO 0.60 -0.59 1.13 0.61 1.20 0.00 0.00 173.24 176.18